4-[(furan-2-yl)methyl]-5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[(furan-2-yl)methyl]-5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4H-1,2,4-triazole-3-thiol
4-[(furan-2-yl)methyl]-5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y509-0026 |
| Compound Name: | 4-[(furan-2-yl)methyl]-5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 476.48 |
| Molecular Formula: | C21 H19 F3 N6 O2 S |
| Smiles: | COc1ccc(cc1)C1CC(C(F)(F)F)n2c(c(cn2)c2nnc(n2Cc2ccco2)S)N1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0214 |
| logD: | 3.6602 |
| logSw: | -4.2142 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.283 |
| InChI Key: | YSFKJAYUDPYZLA-UHFFFAOYSA-N |